SCHEMBL3908186

SCHEMBL3908186

O=C1c2c(O)c(O)cc(=O)n2CCN1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
MAOB P27338 3/20 0.43
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
SRC P12931 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3907766 0.91 ERCC1 (0.44) ERCC1ERCC4KCNH2
SCHEMBL3908475 0.89 ERCC1 (0.52) ERCC1ERCC4DRD3KCNH2SMN1; SMN2
SCHEMBL3905975 0.85 KCNH2 (0.46) ERCC1ERCC4KCNH2POLBKMT2A
SCHEMBL3901558 0.85 KCNH2 (0.44) ERCC1ERCC4DRD3KCNH2POLB
SCHEMBL3914699 0.84 P2RX7 (0.49) ERCC1ERCC4DRD3KCNH2POLB
SCHEMBL3908193 0.84 ERCC1 (0.41) ERCC1ERCC4KCNH2ALDH1A1
SCHEMBL4320847 0.82 MAOB (0.41) ERCC1ERCC4MAOBDRD3KCNH2
SCHEMBL4322869 0.82 MAOB (0.44) ERCC1ERCC4MAOBDRD3KCNH2
SCHEMBL4337990 0.81 MAOB (0.41) ERCC1ERCC4MAOBDRD3KCNH2
SCHEMBL4332720 0.80 CCR2 (0.43) MAOBDRD3KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US claimed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US claimed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A ERCC1 2356/4885ERCC4 2019/4885MAOB 2272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.